Vitas-M small molecule compound
4-[(4Z)-4-(3-bromo-4-methoxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL432550
SMILES COc1ccc(cc1Br)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)C(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H12BrF3N2O4 MW 469.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12BrF3N2O4/c1-29-15-7-2-10(9-14(15)20)8-13-16(19(21,22)23)24-25(17(13)26)12-5-3-11(4-6-12)18(27)28/h2-9H,1H3,(H,27,28)/b13-8-InChIKey
HOHNEHSZFDCPAH-JYRVWZFOSA-NSynonyms
4((4Z)4((3BROMO4METHOXYPHENYL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZOICACID
4((4Z)4(3bromo4methoxybenzylidene)5oxo3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzoicacid
4(4((3BROMO4METHOXYPHENYL)METHYLENE)5OXO3(TRIFLUOROMETHYL)12DIAZOLINYL)BENZOICACID
COC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C(F)(F)F)Br
COc1ccc(cc1Br)C=C1C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)C(=O)O
InChI=1SC19H12BrF3N2O4c129157210(914(15)20)81316(19(2122)23)2425(17(13)26)125311(4612)18(27)28h29H1H3(H2728)b138
MFCD03145712
ZINC000012371073
ZINC12371073
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